SCHEMBL10196205

SCHEMBL10196205

CCc1ccc(Oc2nc3ccccc3s2)cc1C1=C(O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 16/20 0.44
EPHX2 P34913 4/20 0.44
CTSD P07339 1/20 0.41
KCNH2 Q12809 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10196229 0.88 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10196207 0.87 PTPN1 (0.36) SMN1; SMN2LTA4HEPHX2CTSD
SCHEMBL10196215 0.87 CTSD (0.35) SMN1; SMN2LTA4HEPHX2CTSD
SCHEMBL10195490 0.87 SMN1; SMN2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13190205 0.87 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL19070658 0.85 EPHX2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10196227 0.84 KMT2A (0.41) CYP3A4SMN1; SMN2
SCHEMBL10195515 0.82 LTA4H (0.44) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10196232 0.81 CTSD (0.35) SMN1; SMN2LTA4HCTSD
SCHEMBL19070979 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CYP1A2 67/4885CYP3A4 424/4885CYP2D6 88/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.